[2-[aminocarbonyl(cyclopropyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-[aminocarbonyl(cyclopropyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[carbamoyl(cyclopropyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[carbamoyl(cyclopropyl)amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[carbamoyl(cyclopropyl)amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[carbamoyl(cyclopropyl)amino]-3H-benzimidazol-5-yl] ester Formula: C22H25N5O4S MolecularWeight: 455.53

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)N(C5CC5)C(=O)N

Isomeric SMILES

C1CCC(C1)NC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)N(C5CC5)C(=O)N

InChI

InChI=1S/C22H25N5O4S/c23-21(28)27(16-7-8-16)22-25-19-12-9-17(13-20(19)26-22)31-32(29,30)18-10-5-15(6-11-18)24-14-3-1-2-4-14/h5-6,9-14,16,24H,1-4,7-8H2,(H2,23,28)(H,25,26)